NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.8969 8.4449 120.3941 56.3529 29.9147 172.7888 1D H 4.7885 8.3747 125.6431 54.5896 29.9678 172.0136 1E H 5.0151 7.9406 114.4433 53.8280 33.7418 172.6777 1F H 4.6028 8.9195 116.9289 56.0225 29.0024 174.3263 1G F 4.9097 8.4140 119.5954 57.7745 39.8203 174.4250 2 N 4.6977 8.4189 117.6500 52.2803 39.2165 174.6932 3 L 4.8004 8.0732 123.2815 51.9674 44.1893 174.6669 4 P 4.5842 0.0000 0.0000 61.6460 32.7938 175.6031 5 P 4.3994 0.0000 0.0000 62.9357 32.3294 175.8745 6 G 3.9176 8.6812 110.0953 45.1052 0.0000 171.6020 7 N 4.4005 7.9366 114.1042 51.7665 39.6618 174.4861 8 Y 4.8197 8.1001 118.5309 58.3200 38.6146 176.7152 9 K 4.1281 8.5122 122.4340 58.6965 32.2548 177.3315 10 K 4.7225 7.5994 115.2985 53.2623 35.4852 173.7200 11 P 4.7234 0.0000 0.0000 63.2888 32.4280 174.9345 12 K 4.8605 9.3311 119.0410 55.3314 37.5889 174.8870 13 L 5.0421 9.1151 121.2846 53.3034 44.3863 176.3594 14 L 4.9956 8.6304 123.6076 53.6324 42.8154 174.2346 15 Y 4.6623 9.2121 126.5596 56.9690 40.3591 173.4819 16 C 3.9502 8.5905 128.3790 57.4024 32.2319 174.5185 17 S 3.7300 7.8292 122.1066 60.9691 62.3546 174.7296 18 N 3.8957 7.4007 118.1747 56.0662 38.6582 174.8793 19 G 3.8685 7.6081 105.3073 44.7057 0.0000 173.2421 20 G 3.3676 7.8722 107.4893 44.1321 0.0000 173.3229 21 H 4.7792 7.4158 115.5609 54.1221 31.2971 174.1661 22 F 5.2606 8.9343 120.6314 56.0437 40.6615 175.1965 23 L 4.5375 9.0796 125.8356 55.2633 43.2830 175.6026 24 R 4.9433 9.4876 126.2301 54.6174 33.6018 173.9718 25 I 4.8618 8.3009 126.8266 59.3517 38.8346 175.6875 26 L 4.0908 8.7015 127.7548 53.4740 42.2217 177.0520 27 P 4.1955 0.0000 0.0000 65.6097 31.2907 177.2633 28 D 4.5103 7.9852 114.9801 53.5862 39.8065 177.0529 29 G 4.2090 8.4148 109.7244 45.3421 0.0000 173.7884 30 T 4.3209 8.1634 117.3971 63.1513 69.1375 173.6944 31 V 4.8669 8.1147 124.4914 61.1756 34.5194 174.4061 32 D 4.6097 8.6357 125.3455 52.8952 42.4444 174.0218 33 G 4.5659 8.2556 104.1716 45.5146 0.0000 172.2907 34 T 4.9967 8.8719 114.7238 60.7271 70.9199 174.7150 35 R 4.2700 8.7940 124.3398 57.1095 31.0740 176.3654 36 D 4.5365 8.0102 117.5901 54.0106 40.0149 176.7583 37 R 3.8137 8.6297 126.4704 58.1592 30.2570 177.8703 38 S 4.5484 8.5805 112.2167 57.8203 63.2702 173.8488 39 D 4.4518 7.7445 120.9985 54.8536 41.3424 175.9297 40 Q 4.4358 8.4722 123.1667 56.4835 29.2030 175.7278 41 H 4.9303 9.4228 116.0145 55.4623 29.4239 174.8923 42 I 4.5630 7.1274 109.7265 59.8665 38.4680 175.2609 43 Q 4.3081 7.8076 122.0039 55.5052 29.9351 174.6580 44 L 5.1759 8.8754 124.2236 52.8207 45.6475 175.2337 45 Q 4.8331 9.3018 124.8610 54.5161 30.8120 174.3023 46 L 5.2645 8.6218 126.3517 53.5161 44.1388 176.0108 47 S 4.4158 8.4040 114.6052 56.6548 66.9392 172.7354 48 A 4.5848 7.9756 124.1806 50.7921 18.8895 177.0310 49 E 4.0100 8.8860 123.8306 59.2863 30.0302 177.5522 50 S 4.6162 7.4154 112.2291 56.3086 67.1260 173.2764 51 V 3.7564 8.2955 122.0804 64.8592 31.4560 176.4896 52 G 3.9073 9.2546 115.8084 44.9443 0.0000 171.7100 53 E 5.0644 8.4029 120.3050 54.7854 31.7592 175.6639 54 V 4.8681 8.9101 117.4166 59.7324 36.4350 174.1735 55 Y 5.5572 8.5662 118.7531 56.6166 41.3992 175.4942 56 I 4.6415 8.5211 121.6746 59.6131 40.5577 174.1703 57 K 4.7853 8.7592 128.9474 54.0961 35.3538 175.0191 58 S 4.6487 8.6929 122.5828 58.4499 62.6892 175.0045 59 T 3.8144 8.6578 118.4015 64.5358 68.7871 175.9115 60 E 4.0564 8.3720 122.7347 58.4656 29.8558 177.0547 61 T 4.3255 8.3281 106.4526 60.6067 70.2383 175.3931 62 G 3.8044 8.3456 110.0214 45.4887 0.0000 173.6932 63 Q 4.4255 7.6240 118.7083 55.9483 30.2464 174.5753 64 Y 4.7695 9.2432 120.6636 56.1727 40.1909 175.1174 65 L 4.3798 9.1010 126.4350 55.4094 43.4535 175.5380 66 A 5.0234 8.6985 125.7652 51.0156 23.2721 174.4143 67 M 5.4030 8.5828 119.4961 53.8467 34.8111 175.7213 68 D 5.2463 9.5943 126.5776 52.5774 41.1148 176.9223 69 T 4.0190 8.5647 112.8126 64.7829 67.2705 174.1075 70 D 4.8280 8.5319 118.9626 53.9608 41.2656 176.7893 71 G 3.4607 8.6560 107.4871 45.4625 0.0000 172.9224 72 L 4.8166 8.3059 120.0162 53.1316 43.3840 176.2968 73 L 5.0297 8.5773 123.3642 55.1524 42.8486 175.5087 74 Y 4.9217 9.0213 119.6575 56.1512 42.1101 173.4423 75 G 4.2786 8.8842 108.1947 44.9490 0.0000 173.2364 76 S 4.9763 9.0792 121.7497 57.0080 63.7811 175.3659 77 Q 3.9151 8.9996 125.6483 58.2081 28.9481 176.4312 78 T 4.6824 7.4479 105.6295 58.4438 71.8342 171.5513 79 P 3.4161 0.0000 0.0000 62.3154 31.9376 175.2448 80 N 4.9357 7.9763 118.1816 51.2329 40.5517 174.5711 81 E 3.9399 8.6772 114.8115 59.0903 29.7909 178.1655 82 E 4.1405 8.7772 118.5891 57.6128 29.7758 177.3687 83 C 4.8958 7.9071 115.2985 59.1283 29.0325 173.2919 84 L 4.7233 7.1164 120.7911 53.5694 42.9932 175.7723 85 F 5.2674 8.9016 121.1693 55.6490 43.6214 174.2776 86 L 4.7869 9.2850 123.2120 53.7956 42.5591 175.5326 87 E 4.6043 8.9902 127.1121 55.3682 30.1241 175.7572 88 R 4.8474 8.6195 125.3811 54.0509 34.7918 174.7652 89 L 4.7240 8.6336 123.4242 55.2832 43.2508 175.7852 90 E 4.6959 9.0268 123.7603 55.3846 33.5816 174.8719 91 E 3.9931 9.7692 123.8111 57.5230 27.3224 174.3887 92 N 4.3296 8.6057 111.0098 54.2771 36.5058 173.9411 93 H 4.8134 8.5843 116.3206 57.7183 35.9182 173.4610 94 Y 4.6915 7.7776 115.9302 57.3880 40.0324 173.8012 95 N 5.5289 9.5894 118.6473 52.0048 41.2044 174.4943 96 T 5.2292 8.7545 112.3584 60.1715 73.1120 172.5268 97 Y 5.0862 8.6835 119.2159 56.6390 41.5799 174.1831 98 I 4.6804 8.5837 125.9682 59.1837 39.5912 175.3643 99 S 3.9986 9.0404 122.4557 58.6092 62.4355 173.9119 100 K 3.9532 8.7310 129.4839 59.3848 32.1759 178.8324 101 K 3.8601 7.8492 118.0768 58.8137 32.4928 176.5265 102 H 4.6284 7.7572 115.6650 54.9652 29.5287 175.9745 103 A 3.9450 7.7735 125.5290 55.1094 18.4004 180.7914 104 E 3.8877 8.0949 112.7207 59.0206 29.5347 177.8265 105 K 4.2662 7.5850 115.8050 55.3068 32.6645 175.9558 106 N 3.8664 7.8248 115.5858 53.9741 36.4213 174.8738 107 W 5.0553 7.7266 117.7198 56.0997 30.8535 177.5782 108 F 5.4385 9.3113 124.2727 55.6767 40.8571 175.7396 109 V 4.0280 8.9385 121.2552 63.0034 32.6326 175.1942 110 G 4.3798 8.6013 112.3647 45.3040 0.0000 171.5280 111 L 5.2886 8.4538 122.9482 52.4419 44.7914 177.1251 112 K 4.3976 8.9177 123.6122 55.4685 32.9348 178.3066 113 K 3.9307 8.4043 119.2809 59.3255 31.9270 177.9508 114 N 4.5836 8.0767 114.0173 52.5676 37.5963 175.9760 115 G 3.5132 8.1208 108.4189 45.3469 0.0000 173.9680 116 S 4.5407 8.0847 115.1528 57.2042 64.1413 173.5950 117 I 4.3019 8.0184 116.1152 60.9973 38.1186 175.1756 118 K 4.3420 8.8719 127.3207 55.5390 33.3477 176.1630 119 R 4.0216 8.6114 126.8831 56.1346 31.2302 177.0448 120 G 3.3113 8.8883 115.9556 48.2741 0.0000 174.0678 121 P 4.1221 0.0000 0.0000 64.7042 31.3984 177.8647 122 R 4.1425 7.8387 115.3794 57.2069 30.3491 176.5958 123 T 5.0216 7.5423 108.0281 60.1719 70.5020 173.4113 124 H 4.7429 7.8530 115.3341 54.9863 30.5135 173.0274 125 Y 3.9854 8.8056 118.5578 59.8216 38.0142 177.0454 126 G 4.0969 9.0666 111.6769 45.4285 0.0000 173.6926 127 Q 4.3789 7.5431 119.1353 54.7129 30.1436 177.0298 128 K 3.8013 8.2720 119.2307 58.6457 32.8974 179.2197 129 A 4.0941 8.1694 121.4400 54.1122 18.1657 178.6272 130 I 4.3755 7.1460 105.3125 60.6433 38.1645 175.3186 131 L 4.3376 7.4160 123.4235 54.0045 42.5639 175.7972 132 F 5.1680 9.3987 122.7729 55.5992 43.2629 174.6468 133 L 5.2768 9.2389 120.8238 52.3510 45.0234 174.1589 134 P 5.1487 0.0000 0.0000 62.7304 32.0738 175.7540 135 L 4.9274 9.2656 124.7812 51.8693 45.0291 174.4664 136 P 4.6272 0.0000 0.0000 62.6689 32.3068 177.1620 137 V 3.7832 8.1707 114.4480 61.7414 31.6558 176.2948 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1C H 8.44 4.90 0.00 3.03 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.37 4.79 0.00 3.16 3.23 0.00 5.89 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.94 5.02 0.00 3.21 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.92 4.60 0.00 3.34 3.41 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.41 4.91 0.00 2.95 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.42 4.70 0.00 2.98 2.80 0.00 0.00 6.85 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.07 4.80 0.00 1.48 1.41 0.61 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.58 0.00 2.16 2.15 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 5 P 0.00 4.40 0.00 2.17 2.04 0.00 3.88 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 6 G 8.68 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 N 7.94 4.40 0.00 2.61 2.65 0.00 0.00 5.86 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.10 4.82 0.00 3.03 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.51 4.13 0.00 1.85 1.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.57 7.81 10 K 7.60 4.72 0.00 1.70 1.67 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.38 7.81 11 P 0.00 4.72 0.00 2.06 2.05 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 12 K 9.33 4.86 0.00 1.63 1.86 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.62 7.81 13 L 9.12 5.04 0.00 1.66 1.62 0.47 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.63 5.00 0.00 1.57 1.57 0.36 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.21 4.66 0.00 3.29 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.59 3.95 0.00 2.50 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.83 3.73 0.00 4.01 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.40 3.90 0.00 2.49 2.61 0.00 0.00 6.77 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.61 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 7.87 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.42 4.78 0.00 3.02 3.26 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.93 5.26 0.00 3.14 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 9.08 4.54 0.00 1.81 1.53 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.49 4.94 0.00 1.90 2.06 0.00 3.25 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 25 I 8.30 4.86 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.75 0.89 0.00 0.00 26 L 8.70 4.09 0.00 1.82 1.52 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.20 0.00 2.00 2.11 0.00 3.54 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 28 D 7.99 4.51 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.41 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.16 4.32 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 31 V 8.11 4.87 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.94 0.00 0.00 32 D 8.64 4.61 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.26 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.87 5.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 35 R 8.79 4.27 0.00 1.87 1.99 0.00 3.20 0.00 0.00 3.08 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.45 0.00 36 D 8.01 4.54 0.00 2.85 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.63 3.81 0.00 1.84 1.86 0.00 3.44 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.81 0.00 38 S 8.58 4.55 0.00 3.90 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.74 4.45 0.00 2.82 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.47 4.44 0.00 1.84 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.16 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 41 H 9.42 4.93 0.00 3.29 3.44 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.13 4.56 1.86 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.91 1.01 0.00 0.00 43 Q 7.81 4.31 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 44 L 8.88 5.18 0.00 1.50 1.43 0.82 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.30 4.83 0.00 2.08 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 46 L 8.62 5.26 0.00 1.78 1.59 0.90 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.40 4.42 0.00 3.82 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.98 4.58 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.89 4.01 0.00 1.65 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 50 S 7.42 4.62 0.00 3.79 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.30 3.76 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.02 0.00 0.00 52 G 9.25 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.40 5.06 0.00 1.98 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 54 V 8.91 4.87 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.18 0.00 0.00 55 Y 8.57 5.56 0.00 2.98 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.52 4.64 1.70 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.60 0.66 0.00 0.00 57 K 8.76 4.79 0.00 1.28 1.36 0.00 1.37 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.01 0.90 7.81 58 S 8.69 4.65 0.00 3.89 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.66 3.81 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 60 E 8.37 4.06 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 61 T 8.33 4.33 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 62 G 8.35 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.62 4.43 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 64 Y 9.24 4.77 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.10 4.38 0.00 1.58 1.48 0.80 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.70 5.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.58 5.40 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.78 0.00 68 D 9.59 5.25 0.00 2.90 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.56 4.02 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 70 D 8.53 4.83 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.66 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.31 4.82 0.00 1.84 1.64 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.58 5.03 0.00 1.58 1.62 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.02 4.92 0.00 2.99 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.88 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 9.08 4.98 0.00 3.84 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 9.00 3.92 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 78 T 7.45 4.68 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 79 P 0.00 3.42 0.00 1.59 0.49 0.00 3.50 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 80 N 7.98 4.94 0.00 2.89 2.89 0.00 0.00 6.02 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.68 3.94 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.24 0.00 82 E 8.78 4.14 0.00 2.28 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 83 C 7.91 4.90 0.00 3.19 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.12 4.72 0.00 1.56 1.40 0.80 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.90 5.27 0.00 3.09 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 9.29 4.79 0.00 1.54 1.62 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.99 4.60 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.05 0.00 88 R 8.62 4.85 0.00 1.81 1.92 0.00 3.19 0.00 0.00 2.93 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 89 L 8.63 4.72 0.00 1.54 1.62 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.03 4.70 0.00 2.25 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 91 E 9.77 3.99 0.00 2.41 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 92 N 8.61 4.33 0.00 2.85 2.89 0.00 0.00 6.83 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.58 4.81 0.00 2.84 2.91 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.78 4.69 0.00 3.05 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 9.59 5.53 0.00 2.98 2.56 0.00 0.00 6.91 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.75 5.23 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 97 Y 8.68 5.09 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 8.58 4.68 1.71 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.58 0.64 0.00 0.00 99 S 9.04 4.00 0.00 4.07 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 8.73 3.95 0.00 1.74 1.67 0.00 1.70 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.31 7.81 101 K 7.85 3.86 0.00 1.60 1.63 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.95 1.24 7.81 102 H 7.76 4.63 0.00 2.93 1.97 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.77 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.09 3.89 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 105 K 7.58 4.27 0.00 1.16 1.92 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.21 7.81 106 N 7.82 3.87 0.00 3.00 2.90 0.00 0.00 6.89 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 W 7.73 5.06 0.00 3.30 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 9.31 5.44 0.00 2.83 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.94 4.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.52 0.00 0.00 110 G 8.60 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.45 5.29 0.00 1.48 1.46 1.01 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.92 4.40 0.00 1.87 1.68 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.35 7.81 113 K 8.40 3.93 0.00 1.70 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.41 7.81 114 N 8.08 4.58 0.00 2.78 2.88 0.00 0.00 6.15 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.12 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 8.08 4.54 0.00 4.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.02 4.30 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 0.97 0.00 0.00 118 K 8.87 4.34 0.00 1.85 1.71 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.32 7.81 119 R 8.61 4.02 0.00 1.83 1.60 0.00 3.28 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.57 0.00 120 G 8.89 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.12 0.00 1.84 2.10 0.00 2.92 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 122 R 7.84 4.14 0.00 1.82 1.91 0.00 3.27 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 123 T 7.54 5.02 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 124 H 7.85 4.74 0.00 3.38 3.52 0.00 5.47 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.81 3.99 0.00 3.14 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.07 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.54 4.38 0.00 1.86 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 128 K 8.27 3.80 0.00 1.78 1.62 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.26 7.81 129 A 8.17 4.09 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 I 7.15 4.38 1.53 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.00 0.44 0.00 0.00 131 L 7.42 4.34 0.00 1.07 0.71 0.22 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.40 5.17 0.00 3.39 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 9.24 5.28 0.00 1.95 1.76 0.86 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.15 0.00 2.16 2.22 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 135 L 9.27 4.93 0.00 1.65 1.63 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.63 0.00 1.93 1.98 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 137 V 8.17 3.78 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.91 0.00 0.00